Urea, 1-(4-methoxy-6-(2-piperidinoethoxy)-5-benzofuranyl)-3-methyl-
Basic information
- CAS
75902-76-0- Standard SMILES
CNC(=O)Nc1c(OCCN2CCCCC2)cc2occc2c1OC- InChIKey
RDXJXBXQSILRIE-UHFFFAOYSA-N- Molecular formula
- C18H25N3O4
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 347.18450629
Names & identifiers
- Preferred name
- Urea, 1-(4-methoxy-6-(2-piperidinoethoxy)-5-benzofuranyl)-3-methyl-
- IUPAC
- 1-[4-methoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]-3-methylurea
- English name
- 3-[4-methoxy-6-[2-(1-piperidyl)ethoxy]benzofuran-5-yl]-1-methyl-urea
- Molecular formula
- C18H25N3O4
- Molecular weight
- 347.41
Names & synonyms
75902-76-0BRN 5144566Urea, 1-(4-methoxy-6-(2-piperidinoethoxy)-5-benzofuranyl)-3-methyl-DTXSID00226824N-(4-Methoxy-6-(2-piperidinoethoxy)-5-benzofuranyl)-N'-methylureaRefChem:387482DTXCID30149315CHEMBL297650N-{4-Methoxy-6-[2-(piperidin-1-yl)ethoxy]-1-benzofuran-5-yl}-N'-methylurea3-[4-methoxy-6-[2-(1-piperidyl)ethoxy]benzofuran-5-yl]-1-methyl-ureaUrea, N-[4-methoxy-6-[2-(1-piperidinyl)ethoxy]-5-benzofuranyl]-N'-methyl-
Database identifiers
- CAS
75902-76-0- PubChem CID
- 3058992
- DTXSID
DTXSID00226824- ChEMBL
CHEMBL297650- Nikkaji
- J93.266C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 431
Physicochemical properties
- Melting point
- 168 °C · 168 °C(Solv: isopropyl ether (108-20-3))
- Boiling point
- 496 · 496.0±45.0 °C(Predicted)
- Density
- 1.213 · 1.213±0.06 g/cm3(Predicted)
- pka
- 13.37 · 13.37±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…